⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL305079 | 0.96 | — | — | |
| SCHEMBL5055634 | 0.93 | — | — | |
| SCHEMBL28456811 | 0.93 | — | — | |
| SCHEMBL9585374 | 0.93 | — | — | |
| SCHEMBL8504464 | 0.93 | — | — | |
| SCHEMBL4479247 | 0.93 | — | — | |
| SCHEMBL4408235 | 0.93 | — | — | |
| Acetic Acid SCHEMBL28378611 | 0.90 | ALDH1A1 (0.47) | — | |
| Alcohol SCHEMBL7007847 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL4817329 | 0.84 | ALDH1A1 (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6984745-B2 | Environmentally benign lead zirconate titanate ceramic precursor materials | RAYTHEON COMPANY (US) | 2006-01-10 | — | — | US | disclosed |
| US-20050168916-A1 | Environmentally benign lead zirconate titanate ceramic precursor materials | RAYTHEON COMPANY | 2005-08-04 | — | — | US | disclosed |